3-(p-Chlorophenyl)-5-methylrhodanine

Base Information

• Chemical Name: 3-(p-Chlorophenyl)-5-methylrhodanine
• CAS No.: 6012-92-6
• Molecular Formula: C10H8 Cl N O S2
• Molecular Weight: 257.765
• Hs Code.: 2934999090
• NSC Number: 43397,4747
• Nikkaji Number: J22.063I
• Mol file: 6012-92-6.mol

Synonyms:3-(p-Chlorophenyl)-5-methylrhodanine;6012-92-6;N 244;3-(p-Chlorophenyl)-5-methyl rhodanine;Rhodanine, 3-(p-chlorophenyl)-5-methyl-;NSC 4747;4-Thiazolidinone, 3-(4-chlorophenyl)-5-methyl-2-thioxo-;N-244;NSC 43397;BRN 0202323;NSC4747;NSC43397;4-27-00-03229 (Beilstein Handbook Reference);WLN: T5SYNV EHJ BUS CR DG& E1;C10H8ClNOS2;SCHEMBL415989;NSC-4747;NSC-43397;LS-143577;3-(4-chlorophenyl)-5-methyl-2-thioxo-thiazolidin-4-one;3-(4-Chlorophenyl)-5-methyl-2-thioxo-1,3-thiazolidin-4-one

Chemical Property of 3-(p-Chlorophenyl)-5-methylrhodanine

Chemical Property:

• Vapor Pressure: 9.93E-06mmHg at 25°C
• Boiling Point: 372°C at 760 mmHg
• Flash Point: 178.8°C
• PSA: 77.70000
• Density: 1.5g/cm³
• LogP: 3.15820
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 256.9735839
• Heavy Atom Count: 15
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

3-(P-CHLOROPHENYL)-5-METHYLRHODANINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)N(C(=S)S1)C2=CC=C(C=C2)Cl

Technology Process of 3-(p-Chlorophenyl)-5-methylrhodanine

There total 1 articles about 3-(p-Chlorophenyl)-5-methylrhodanine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-chloro-aniline (106-47-8) → 3-(4-chloro-phenyl)-5-methyl-2-thioxo-thiazolidin-4-one (6012-92-6)

Guidance literature:

With hydrogenchloride; ammonium hydroxide; ethanol; aufeinanderfolgendes Behandeln;

Reference yield: 92.0%

3-(4-chloro-phenyl)-5-methyl-2-thioxo-thiazolidin-4-one (6012-92-6) + tert-butyl (1-benzyl-2-oxoindolin-3-ylidene)carbamate (1373942-84-7) → tert-butyl ((S)-1-benzyl-3-((R)-3-(4-chlorophenyl)-5-methyl-4-oxo-2-thioxothiazolidin-5-yl)-2-oxoindolin-3-yl)carbamate

Guidance literature:

With C₃₂H₂₈F₆N₄O₃; In dichloromethane; at 25 ℃; for 12h; Inert atmosphere;

Reference yield: 82.0%

3-(4-chloro-phenyl)-5-methyl-2-thioxo-thiazolidin-4-one (6012-92-6) + buta-2,3-dienoic acid benzyl ester (187661-86-5) → benzyl (S,E)-4-(3-(4-chlorophenyl)-5-methyl-4-oxo-2-thioxothiazolidin-5-yl)but-2-enoate

Guidance literature:

With tert-butyl ((1R,2R)-2-(diphenylphosphanyl)cyclohexyl)carbamate; In toluene; at 25 ℃; for 0.25h; enantioselective reaction; Molecular sieve;

DOI:10.1016/j.tet.2017.12.050

upstream raw materials:

4-chloro-aniline